SCHEMBL3333771

SCHEMBL3333771

Cc1cc2c(cn1)[nH]c1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 9/20 0.64
GABRD O14764 9/20 0.64
GABRA1 P14867 9/20 0.64
GABRB1 P18505 9/20 0.64
GABRG2 P18507 9/20 0.64
GABRB3 P28472 9/20 0.64
GABRA5 P31644 9/20 0.64
GABRA3 P34903 9/20 0.64
GABRA2 P47869 9/20 0.64
GABRB2 P47870 9/20 0.64
GABRA4 P48169 9/20 0.64
GABRE P78334 9/20 0.64
GABRA6 Q16445 9/20 0.64
GABRG1 Q8N1C3 9/20 0.64
GABRG3 Q99928 9/20 0.64
GABRQ Q9UN88 9/20 0.64
ALDH1A1 P00352 1/20 0.58
IDO1 P14902 1/20 0.58
KMT2A Q03164 1/20 0.57
AHR P35869 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13100678 0.85 KIF11 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12938276 0.81 GABRP (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13182625 0.79 KIF11 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14689472 0.79 CHUK (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10642293 0.78 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1982871 0.78 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10644440 0.78 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6446989 0.78 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1984445 0.78 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28643704 0.78 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334299-B2 β-carboline for the treatment of neurodegenerative diseases ELLNEUROXX, LTD. (DE) 2012-12-18 US claimed
US-20100143474-A1 B-CARBOLINE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ELLNEUROXX, LTD. 2010-06-10 US claimed
EP-0054507-B1 3-SUBSTITUTED BETA-CARBOLINES, PROCESS FOR THEIR PRODUCTION AND COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1988-02-17 EP claimed
US-20240132494-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL MED MOUNT SINAI (US) 2024-04-25 US disclosed
US-11866427-B2 Kinase inhibitor compounds and compositions and methods of use ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2024-01-09 US disclosed
US-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2021-04-01 US disclosed
EP-3768267-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE Icahn School of Medicine at Mount Sinai (US) 2021-01-27 EP disclosed
WO-2019183245-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-09-26 WO disclosed
EP-3122750-B1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN LA ROCHE (CH) 2019-09-04 EP disclosed
EP-2900669-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2019-09-04 EP disclosed
WO-2015144605-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-01 WO disclosed
US-8551956-B2 Compositions containing peptides with non-natural amino acids and methods of use AVON PRODUCTS, INC. (US) 2013-10-08 US disclosed
US-8551956-B2 Compositions containing peptides with non-natural amino acids and methods of use AVON PRODUCTS, INC. (US) 2013-10-08 US disclosed
US-20090082252-A1 Compositions Containing Peptides with Non-Natural Amino Acids and Methods of Use AVON PRODUCTS INC. 2009-03-26 US disclosed
US-20090082252-A1 Compositions Containing Peptides with Non-Natural Amino Acids and Methods of Use AVON PRODUCTS INC. 2009-03-26 US disclosed
WO-2007100874-A2 COMPOSITIONS CONTAINING PEPTIDES WITH NON-NATURAL AMINO ACIDS AND METHODS OF USE AVON PRODUCTS, INC. (US) 2007-09-07 WO disclosed
US-4731358-A β-carbolines and their use as tranquilizers SCHERING AKTIENGESELLSCHAFT (DE) 1988-03-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240132494-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, DYRK1A, CSNK1G3 GABRP 1344/4885GABRD 1065/4885GABRA1 1030/4885
US-20100143474-A1 B-CARBOLINE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PARK7, SNCA, CHAT GABRP 1512/4885GABRD 2383/4885GABRA1 803/4885
US-11866427-B2 Kinase inhibitor compounds and compositions and methods of use CSNK1A1, CSNK1E, CSNK1G3 GABRP 1113/4885GABRD 974/4885GABRA1 940/4885
US-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, CSNK1E, CSNK1G3 GABRP 1113/4885GABRD 974/4885GABRA1 940/4885
US-20090082252-A1 Compositions Containing Peptides with Non-Natural Amino Acids and Methods of Use CUTA, NGLY1, LNPEP GABRP 1492/4885GABRD 2942/4885GABRA1 2469/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.